John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9QLBRZLwpoH SpectraBase Spectrum ID=11taF1OwsnI

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(R)-ALPHA-METHYLBUTYRYL-ALKANNIN
SpectraBase Compound ID 9QLBRZLwpoH
InChI InChI=1S/C21H24O6/c1-5-12(4)21(26)27-17(9-6-11(2)3)13-10-16(24)18-14(22)7-8-15(23)19(18)20(13)25/h6-8,10,12,17,22-23H,5,9H2,1-4H3/t12-,17-/m0/s1
InChIKey ODQATBANLZCROD-SJCJKPOMSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11taF1OwsnI
Name 2''-(S)-ALPHA-METHYL-BUTYRYL-ALKANNIN
Compound Number 6
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-5-12(4)21(26)27-17(9-6-11(2)3)13-10-16(24)18-14(22)7-8-15(23)19(18)20(13)25/h6-8,10,12,17,22-23H,5,9H2,1-4H3/t12-,17-/m0/s1
InChIKey ODQATBANLZCROD-SJCJKPOMSA-N
Literature Reference Author H.DAMIANAKOS,N.KRETSCHMER,K.SYKLOWSKA-BARANEK,A.PIETROSIUK,R .BAUER,I.CHINOU
Literature Reference Citation MOLECULES,17,14310(2012)
Literature Reference DOI 10.3390/molecules171214310
Molecular Weight 372.418 g/mol
Sample ID 900
Solvent CDCl3
SpectraBase Batch ID 5DFdeTONJ6Y